5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-(2-nitrophenyl)-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-(2-nitrophenyl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-(2-nitrophenyl)oxazole-4-carbonitrile CAS Name: 5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-(2-nitrophenyl)-4-oxazolecarbonitrile IUPAC Name: 5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-(2-nitrophenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-(homoveratrylamino)-2-(2-nitrophenyl)oxazole-4-carbonitrile Formula: C20H18N4O5 MolecularWeight: 394.38072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=C(N=C(O2)C3=CC=CC=C3[N+](=O)[O-])C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=C(N=C(O2)C3=CC=CC=C3[N+](=O)[O-])C#N)OC

InChI

InChI=1S/C20H18N4O5/c1-27-17-8-7-13(11-18(17)28-2)9-10-22-20-15(12-21)23-19(29-20)14-5-3-4-6-16(14)24(25)26/h3-8,11,22H,9-10H2,1-2H3